4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-fluorophenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-fluorophenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-fluorophenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-3-[(4-fluorophenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-fluorophenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-carbethoxypiperazino)-3-[(4-fluorophenyl)sulfonylamino]benzoic acid Formula: C20H22FN3O6S MolecularWeight: 451.468583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O6S/c1-2-30-20(27)24-11-9-23(10-12-24)18-8-3-14(19(25)26)13-17(18)22-31(28,29)16-6-4-15(21)5-7-16/h3-8,13,22H,2,9-12H2,1H3,(H,25,26)